Vitas-M small molecule compound
(2Z)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850753
SMILES O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2C[NH+]1CCCCC1C)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-14-5-2-3-10-23(14)13-17-18(24)8-7-16-20(25)19(26-21(16)17)11-15-6-4-9-22-12-15/h4,6-9,11-12,14,24H,2-3,5,10,13H2,1H3/b19-11-InChIKey
VQPIQPNNLWOARI-ODLFYWEKSA-NSynonyms
900268-86-2(2Z)6HYDROXY7((2METHYLPIPERIDIN1YL)METHYL)2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((2methylpiperidin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)7((2methylpiperidinium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7((2METHYLPIPERIDYL)METHYL)2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
900268862
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)(O)
InChI=1SC21H22N2O3c1145231023(14)131718(24)871620(25)19(2621(16)17)1115649221215h46911121424H2351013H21H3b1911
MFCD06613182
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2C(NH+)1CCCCC1C)(O)
ZINC000020533500
ZINC000020533501
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